Effect of H impurity on misfit dislocation in Ni-based single-crystal superalloy: molecular dynamic simulations

doi:10.1088/1674-1056/21/2/026104

中国物理B ›› 2012, Vol. 21 ›› Issue (2): 26104-026104.doi: 10.1088/1674-1056/21/2/026104

于涛¹,谢红献¹ ³,王崇愚¹ ²

收稿日期:2011-10-27 修回日期:2011-11-17 出版日期:2012-01-30 发布日期:2012-01-30
通讯作者: 于涛,ytao012345@163.com E-mail:ytao012345@163.com

Effect of H impurity on misfit dislocation in Ni-based single-crystal superalloy: molecular dynamic simulations

Yu Tao(于涛)^a)†, Xie Hong-Xian(谢红献)^a)c), and Wang Chong-Yu(王崇愚)^a)b)

a. Central Iron and Steel Research Institute, Beijing 100081, China;
b. Department of Physics, Tsinghua University, Beijing 100084, China;
c. School of Mechanical Engineering, Hebei University of Technology, Tianjin 300132, China

Received:2011-10-27 Revised:2011-11-17 Online:2012-01-30 Published:2012-01-30
Contact: Yu Tao,ytao012345@163.com E-mail:ytao012345@163.com
Supported by:
Project supported by the National Basic Research Program of China (Grant No. 2011CB606402) and the National Natural Science Foundation of China (Grant No. 51071091).

摘要/Abstract

Abstract: The effect of H impurity on the misfit dislocation in Ni-based single-crystal superalloy is investigated using the molecular dynamic simulation. It includes the site preferences of H impurity in single crystals Ni and Ni₃Al, the interaction between H impurity and the misfit dislocation and the effect of H impurity on the moving misfit dislocation. The calculated energies and simulation results show that the misfit dislocation attracts H impurity which is located at the $\gamma/\gamma'$ interface and Ni₃Al and H impurity on the glide plane can obstruct the glide of misfit dislocation, which is beneficial to improving the mechanical properties of Ni based superalloys.

Key words: molecular dynamic, H impurity, misfit dislocation, Ni-based superalloy

中图分类号: (Linear defects: dislocations, disclinations)

61.72.Lk

02.70.Ns (Molecular dynamics and particle methods)

于涛, 谢红献, 王崇愚. [J]. 中国物理B, 2012, 21(2): 26104-026104.

Yu Tao(于涛), Xie Hong-Xian(谢红献), and Wang Chong-Yu(王崇愚) . Effect of H impurity on misfit dislocation in Ni-based single-crystal superalloy: molecular dynamic simulations[J]. Chin. Phys. B, 2012, 21(2): 26104-026104.

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Effect of H impurity on misfit dislocation in Ni-based single-crystal superalloy: molecular dynamic simulations

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